SCHEMBL21758248

SCHEMBL21758248

Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccccc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP11B2 P19099 3/20 0.32
SLC22A12 Q96S37 3/20 0.32
CYP11B1 P15538 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
NR3C1 P04150 1/20 0.32
CDK5 Q00535 2/20 0.31
DYRK1A Q13627 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CLK3 P49761 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21758602 0.94 AR (0.36) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758599 0.94 NPY5R (0.34) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758246 0.92 ABL1 (0.33) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758256 0.91 ALDH1A1 (0.37) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758586 0.90 CYP11B1 (0.33) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758575 0.89 SLC22A12 (0.35) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21758611 0.89 AR (0.38) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758621 0.89 NR3C1 (0.41) NPY5RALDH1A1LMNAHPGDMAPK1
SCHEMBL21758554 0.88 NCOA3 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21758551 0.88 NCOA3 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 NPY5R 189/4885ALDH1A1 1610/4885LMNA 1209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.